3-morpholin-4-yl-3-phenylhexanoic acid

C16H23NO3 — CID 64528715

IUPAC3-morpholin-4-yl-3-phenylhexanoic acid
SMILESCCCC(CC(=O)O)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-2-8-16(13-15(18)19,14-6-4-3-5-7-14)17-9-11-20-12-10-17/h3-7H,2,8-13H2,1H3,(H,18,19)
InChIKeyUKXROXKDVXGXMM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.49
Rot. Bonds6

About 3-morpholin-4-yl-3-phenylhexanoic acid

3-morpholin-4-yl-3-phenylhexanoic acid (PubChem CID 64528715) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-phenylhexanoic acid.

Molecular Properties

Compound Name3-morpholin-4-yl-3-phenylhexanoic acid
PubChem CID64528715
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-morpholin-4-yl-3-phenylhexanoic acid
SMILESCCCC(CC(=O)O)(c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-2-8-16(13-15(18)19,14-6-4-3-5-7-14)17-9-11-20-12-10-17/h3-7H,2,8-13H2,1H3,(H,18,19)
InChIKeyUKXROXKDVXGXMM-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-3-phenylhexanoic acid?
The IUPAC name of 3-morpholin-4-yl-3-phenylhexanoic acid (CID 64528715) is 3-morpholin-4-yl-3-phenylhexanoic acid.
What is the SMILES notation for 3-morpholin-4-yl-3-phenylhexanoic acid?
The canonical SMILES for 3-morpholin-4-yl-3-phenylhexanoic acid is CCCC(CC(=O)O)(c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-3-phenylhexanoic acid?
The InChIKey is UKXROXKDVXGXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-8-16(13-15(18)19,14-6-4-3-5-7-14)17-9-11-20-12-10-17/h3-7H,2,8-13H2,1H3,(H,18,19).
What are the key properties of 3-morpholin-4-yl-3-phenylhexanoic acid?
3-morpholin-4-yl-3-phenylhexanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-phenylhexanoic acid is sourced from PubChem (CID 64528715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).